0 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,0,0,0,0,0|2,1,1]=4 44 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,0,0,0,0,0|2,1,1]=4 48 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,0,0,0,0,0|2,1,1]=4 49 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,0,0,0,0,0|2,1,1]=4 50 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,0,0,0,0,0|2,1,1]=4 55 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,0,0,0,0,0|2,1,1]=4 61 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,0,0,0,0,0|2,1,1]=4 67 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,0,0,0,0,0|2,1,1]=4 68 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,0,0,0,0|2,1,1]=4 73 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,0,0,0,0|2,1,1]=4 74 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,0,0,0,0,0|4,0,0]=4 75 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,0,0,0,0,0|4,0,0]=4 78 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,0,0,0,0|2,1,1]=4 90 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,0,0,0,0|2,1,1]=4 108 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,0,0,0,0|2,1,1]=4 131 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,0,0,0,0|2,1,1]=4 132 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,0,0,0,0,0|4,0,0]=4 133 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,0,0,0,0,0|4,0,0]=4 134 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,0,0,0,0,0|4,0,0]=4 135 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,0,0,0,0,0|4,0,0]=4 136 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.1 C=CCSCSC#N 62a_100000210623_100000211825 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.1 C=CCSCSC#N 62a_100000211825_100000210623 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,0,0,0,0,0|4,0,0]=4 141 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,0,0,0,0,0|2,0,2]=4 145 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,0,0,0,0|3,0,1]=4 154 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,0,0,0,0|3,0,1]=4 155 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,0,0,0,0,0|4,0,0]=4 157 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,0,0,0,0,0|4,0,0]=4 160 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,0,0,0,0,0|3,0,1]=4 163 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,0,0,0,0,0|4,0,0]=4 165 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|0,0,2]=3 171 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|0,0,2]=3 172 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|0,0,2]=3 173 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|0,0,2]=3 174 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|0,0,2]=3 175 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|0,0,2]=3 176 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|0,0,2]=3 177 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|1,0,1]=3 178 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|1,0,1]=3 179 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|1,0,2]=4 188 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,0,0,0,0|1,1,1]=4 198 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|1,1,1]=4 202 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|1,1,1]=4 203 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|1,1,1]=4 204 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,0,0,0,0|1,1,1]=4 208 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,1,1]=4 214 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|1,1,1]=4 219 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|1,1,1]=4 220 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,1,1]=4 225 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,1,1]=4 226 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|1,0,2]=4 232 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 241 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 242 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|2,0,1]=4 246 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.1 C=CC[C@@H](N)COCF 34a_100020615467_100015361967 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.4 C#CCCCNCC=C 2230a_100020586998_100000731252 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.4 C#CCCCNCC=C 34a_100000718082_100015514636 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.4 C#CCNCCCC=C 2230a_100000700776_100000038162 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.4 C#CCNCCCC=C 34a_100000212058_100000757094 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.4 C#CCNCCCC=C 34a_100000700776_100000184674 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.4 C=CCCC=NNCC 4a_100000756455_100011216789 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,1,0,0,0,0|1,1,1]=4 282 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,1,0,0,0,0|1,1,1]=4 283 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,1,0,0,0,0|1,1,1]=4 284 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,1,0,0,0,0|1,1,1]=4 285 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,1,0,0,0,0|1,1,1]=4 286 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,1,0,0,0,0|1,0,2]=4 289 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,1,0,0,0,0|1,0,2]=4 290 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,1,0,0,0,0|1,0,2]=4 291 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,1,0,0,0,0|1,0,2]=4 292 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,1,0,0,0,0|1,0,2]=4 293 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,1,0,0,0,0|1,0,2]=4 294 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,0,0,0,0|2,0,1]=4 301 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.4 C=CCCCNCC#N 2230a_100000700776_100011215382 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,1,0,0,0,0|1,0,2]=4 307 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,1,0,0,0,0|0,1,2]=4 308 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,1,0,0,0,0|0,1,2]=4 309 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,0,0,0,0|1,0,2]=4 311 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,1,0,0,0,0|1,0,2]=4 312 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,1,0,0,0,0|0,1,2]=4 315 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,1,0,0,0,0|0,1,2]=4 316 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,1,0,0,0,0|0,1,2]=4 317 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,1,0,0,0,0|0,1,2]=4 318 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [0,1,0,0,0,0|0,1,2]=4 319 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [0,1,0,0,0,0|0,0,3]=4 320 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [0,1,0,0,0,0|0,0,3]=4 321 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,1,0,0,0,0|1,1,1]=4 326 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,1,0,0,0,0|1,1,1]=4 327 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,1,0,0,0,0|1,1,1]=4 335 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,1,0,0,0,0|1,1,1]=4 336 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [0,1,0,0,0,0|1,0,2]=4 337 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,1,0,0,0,0|1,1,1]=4 342 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,1,0,0,0,0|1,1,1]=4 343 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,0,0,0,0|1,1,1]=4 348 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,0,0,0,0|1,1,1]=4 349 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [0,1,0,0,0,0|1,1,1]=4 350 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [0,1,0,0,0,0|1,1,1]=4 351 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,1,0,0,0,0|1,1,1]=4 366 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,1,0,0,0,0|1,1,1]=4 385 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [0,1,0,0,0,0|3,0,0]=4 386 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [0,1,0,0,0,0|3,0,0]=4 387 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [0,1,0,0,0,0|3,0,0]=4 391 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,0,0,0,0|1,1,1]=4 405 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,0,0,0,0|1,1,1]=4 406 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [0,1,0,0,0,0|3,0,0]=4 407 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.4 C=CCCSCSC#N 62a_100000211825_100000754431 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.4 C=CCCSCSC#N 62a_100000754431_100000211825 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.4 C=CCNCCCC#N 2230a_100020586998_100000687738 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,1,0,0,0,0|1,1,1]=4 416 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,1,0,0,0,0|1,1,1]=4 420 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,1,0,0,0,0|1,1,1]=4 421 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,1,0,0,0,0|1,1,1]=4 422 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,1,0,0,0,0|1,1,1]=4 445 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,1,0,0,0,0|3,0,0]=4 447 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,1,0,0,0,0|3,0,0]=4 448 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,1,0,0,0,0|3,0,0]=4 449 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,1,0,0,0,0|3,0,0]=4 450 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,1,0,0,0,0|1,1,1]=4 465 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,1,0,0,0,0|1,1,1]=4 466 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,0,0,0,0|1,1,1]=4 471 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,0,0,0,0|1,1,1]=4 472 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.4 C=CCSCCSC#N 62a_100000034367_100000210623 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.4 C=CCSCCSC#N 62a_100000210623_100000034367 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,1,0,0,0,0|1,0,2]=4 487 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.4 C=COCCCNCF 34a_100000210767_100015361967 [0,1,0,0,0,0|1,0,2]=4 489 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|1,1,1]=4 497 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|3,0,0]=4 498 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,0,0,0,0|1,0,2]=4 502 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,0,0,0,0|1,0,2]=4 503 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,0,0,0,0|1,1,1]=4 504 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,0,0,0,0|1,1,1]=4 505 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,0,0,0,0|1,1,1]=4 506 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,0,0,0,0|0,1,2]=4 513 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,0,0,0,0|0,1,2]=4 514 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,0,0,0,0|0,1,2]=4 515 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,0,0,0,0|0,1,2]=4 516 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,0,0,0,0|1,0,2]=4 520 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 528 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,0,0,1,0,0|3,0,0]=4 529 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,0,0,1,0,0|3,0,0]=4 530 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,0,0,1,0,0|3,0,0]=4 531 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,0,0,1,0,0|3,0,0]=4 532 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,0,0,1,0,0|3,0,0]=4 533 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,0,0,1,0,0|3,0,0]=4 534 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,0,0,1,0,0|3,0,0]=4 535 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|0,0,2]=4 536 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|0,0,2]=4 537 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|0,0,2]=4 538 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|0,0,2]=4 539 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|0,0,2]=4 540 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|1,0,1]=4 541 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|1,0,1]=4 542 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|1,0,1]=4 543 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|1,0,1]=4 544 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|1,0,1]=4 545 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|1,0,1]=4 546 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|1,0,1]=4 547 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 548 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 549 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|1,0,1]=4 550 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|1,0,1]=4 551 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [2,0,0,0,0,0|2,0,0]=4 552 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|1,0,1]=4 553 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|1,0,1]=4 554 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [2,0,0,0,0,0|2,0,0]=4 555 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [2,0,0,0,0,0|2,0,0]=4 556 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|0,0,2]=4 557 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|0,1,1]=4 562 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|0,1,1]=4 563 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|0,1,1]=4 564 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,1,0,0,0,0|0,0,2]=4 565 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,1,0,0,0,0|0,0,2]=4 566 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [1,1,0,0,0,0|1,0,1]=4 572 B9R0.5 C=CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210623 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.45 C=CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210623 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.45 C=CCOCCC=C=CC 34a_100011020354_100015514636 [0,2,0,0,0,0|2,0,0]=4